SCHEMBL9664824

SCHEMBL9664824

c1ccc(Cn2c(-c3ccccc3)ccc2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.50
APP P05067 1/20 0.50
BACE1 P56817 1/20 0.50
HPGDS O60760 1/20 0.50
IDO1 P14902 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
ALDH1A1 P00352 6/20 0.47
PDE6D O43924 1/20 0.47
ALDH2 P05091 1/20 0.47
ALDH3A1 P30838 1/20 0.47
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2825301 0.86 TSHR (0.48) CYP19A1APPBACE1HPGDSIDO1
SCHEMBL28040113 0.81 KDM4E (0.42) CYP19A1APPBACE1HPGDSIDO1
SCHEMBL2260831 0.80 GSK3A (0.48) HPGDSIDO1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL2263350 0.80 CNR1 (0.48) HPGDSSMN1; SMN2LMNAGSK3AGSK3B
SCHEMBL5448832 0.79 ESR2 (0.56) CYP19A1CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL5535418 0.79 PGR (0.46) APPBACE1HPGDSSMN1; SMN2LMNA
SCHEMBL4428277 0.77 NOTUM (0.48) BACE1SMN1; SMN2LMNAGSK3AGSK3B
SCHEMBL2261486 0.76 KDM4E (0.71) SMN1; SMN2LMNAGSK3AGSK3BALDH1A1
SCHEMBL10430575 0.76 KMT2A (0.49) SMN1; SMN2LMNAGSK3AGSK3BALDH1A1
SCHEMBL6285893 0.74 ALDH1A1 (0.50) HPGDSSMN1; SMN2LMNAALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500824-A1 POLYMERS FOR SCAVENGING NITROSATING AGENTS CURATORS OF THE UNIVERSITY OF MISSOURI (US) 1992-09-02 EP disclosed
US-5087671-A Insoluble polymers containing reactive groups THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 1992-02-11 US disclosed
WO-1992000122-A1 POLYMERS FOR SCAVENGING NITROSATING AGENTS CURATORS OF THE UNIVERSITY OF MISSOURI (US) 1992-01-09 WO disclosed